iterations/neb0_image05_iter73_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.145043435177E+04 0.14504E+04 -0.44226E+04 330 0.697E+02
DAV: 2 0.230830103286E+03 -0.12196E+04 -0.11426E+04 417 0.163E+02
DAV: 3 -0.362162889013E+03 -0.59299E+03 -0.58976E+03 345 0.115E+02
DAV: 4 -0.433461554535E+03 -0.71299E+02 -0.71050E+02 309 0.514E+01
DAV: 5 -0.435107550080E+03 -0.16460E+01 -0.16432E+01 336 0.795E+00 0.427E+01
DAV: 6 -0.388953622640E+03 0.46154E+02 -0.14852E+02 309 0.285E+01 0.209E+01
DAV: 7 -0.385473460690E+03 0.34802E+01 -0.13874E+01 345 0.787E+00 0.104E+01
DAV: 8 -0.384035552146E+03 0.14379E+01 -0.30583E+00 336 0.404E+00 0.448E+00
DAV: 9 -0.383491788231E+03 0.54376E+00 -0.16562E+00 327 0.244E+00 0.137E+00
DAV: 10 -0.383394869491E+03 0.96919E-01 -0.18827E-01 336 0.118E+00 0.122E+00
DAV: 11 -0.383383047850E+03 0.11822E-01 -0.61884E-01 354 0.895E-01 0.944E-01
DAV: 12 -0.383350438766E+03 0.32609E-01 -0.32884E-02 327 0.508E-01 0.775E-01
DAV: 13 -0.383347321786E+03 0.31170E-02 -0.20593E-02 372 0.450E-01 0.891E-01
DAV: 14 -0.383323352462E+03 0.23969E-01 -0.59260E-02 345 0.527E-01 0.387E-01
DAV: 15 -0.383322992095E+03 0.36037E-03 -0.35927E-02 318 0.377E-01 0.424E-01
DAV: 16 -0.383322804429E+03 0.18767E-03 -0.52625E-03 300 0.255E-01 0.314E-01
DAV: 17 -0.383327950924E+03 -0.51465E-02 -0.56783E-03 318 0.201E-01 0.212E-01
DAV: 18 -0.383336375416E+03 -0.84245E-02 -0.10047E-02 336 0.206E-01 0.276E-01
DAV: 19 -0.383342779545E+03 -0.64041E-02 -0.92628E-03 318 0.181E-01 0.216E-01
DAV: 20 -0.383348271599E+03 -0.54921E-02 -0.23923E-03 336 0.138E-01 0.200E-01
DAV: 21 -0.383352383620E+03 -0.41120E-02 -0.12923E-03 327 0.861E-02 0.751E-02
DAV: 22 -0.383357804508E+03 -0.54209E-02 -0.57313E-04 300 0.541E-02 0.658E-02
DAV: 23 -0.383363216302E+03 -0.54118E-02 -0.36754E-04 318 0.516E-02 0.239E-02
DAV: 24 -0.383365702327E+03 -0.24860E-02 -0.19247E-04 309 0.323E-02 0.202E-02
DAV: 25 -0.383367412125E+03 -0.17098E-02 -0.55818E-05 300 0.163E-02 0.240E-02
DAV: 26 -0.383369749533E+03 -0.23374E-02 -0.16388E-04 300 0.227E-02 0.191E-02
DAV: 27 -0.383370298684E+03 -0.54915E-03 -0.32901E-05 264 0.120E-02 0.708E-03
DAV: 28 -0.383370930356E+03 -0.63167E-03 -0.44624E-05 264 0.110E-02 0.147E-02
DAV: 29 -0.383371080352E+03 -0.15000E-03 -0.64998E-06 228 0.569E-03 0.631E-03
DAV: 30 -0.383371211900E+03 -0.13155E-03 -0.96613E-06 210 0.580E-03 0.462E-03
DAV: 31 -0.383371243470E+03 -0.31570E-04 -0.13039E-06 237 0.296E-03 0.476E-03
DAV: 32 -0.383371289047E+03 -0.45577E-04 -0.12799E-06 192 0.246E-03 0.415E-03
DAV: 33 -0.383371310066E+03 -0.21019E-04 -0.13761E-06 219 0.231E-03 0.128E-03
DAV: 34 -0.383371319001E+03 -0.89352E-05 -0.40021E-07 228 0.169E-03
1 F= -.38337132E+03 E0= -.38338841E+03 d E =0.512774E-01